N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine

C24H27NO2 — CID 3126333

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine
SMILESCOc1ccc(CNC(Cc2ccccc2)c2ccccc2)c(OC)c1C
InChIInChI=1S/C24H27NO2/c1-18-23(26-2)15-14-21(24(18)27-3)17-25-22(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-15,22,25H,16-17H2,1-3H3
InChIKeyNTDZDEGTHKCBEQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.09
Rot. Bonds8

About N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine (PubChem CID 3126333) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine
PubChem CID3126333
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine
SMILESCOc1ccc(CNC(Cc2ccccc2)c2ccccc2)c(OC)c1C
InChIInChI=1S/C24H27NO2/c1-18-23(26-2)15-14-21(24(18)27-3)17-25-22(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-15,22,25H,16-17H2,1-3H3
InChIKeyNTDZDEGTHKCBEQ-UHFFFAOYSA-N
XLogP5.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine (CID 3126333) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine is COc1ccc(CNC(Cc2ccccc2)c2ccccc2)c(OC)c1C.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine?
The InChIKey is NTDZDEGTHKCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-18-23(26-2)15-14-21(24(18)27-3)17-25-22(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-15,22,25H,16-17H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine has a molecular weight of 361.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1,2-diphenylethanamine is sourced from PubChem (CID 3126333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).